UE2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C33 | C34 | sing | 1.53Å | 1.55Å | |
C33 | N06 | sing | 1.47Å | 1.31Å | |
C07 | N06 | sing | 1.47Å | 1.37Å | |
C07 | C08 | sing | 1.51Å | 1.55Å | |
C34 | C02 | sing | 1.53Å | 1.52Å | |
N06 | C05 | sing | 1.47Å | 1.31Å | |
C11 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C02 | sing | 1.53Å | 1.57Å | |
C05 | C04 | sing | 1.53Å | 1.58Å | |
C02 | C04 | sing | 1.53Å | 1.54Å | |
C02 | C01 | sing | 1.53Å | 1.55Å | |
C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C29 | N28 | sing | 1.46Å | 1.46Å | |
C13 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
C13 | C14 | sing | 1.48Å | 1.55Å | |
C20 | C19 | sing | 1.53Å | 1.54Å | |
C20 | N22 | sing | 1.47Å | 1.48Å | |
N28 | C27 | sing | 1.39Å | 1.46Å | |
C19 | C18 | sing | 1.53Å | 1.54Å | |
C30 | C27 | doub | 1.39Å | 1.36Å | Aromatic |
C30 | C23 | sing | 1.39Å | 1.36Å | Aromatic |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C14 | O32 | doub | 1.22Å | 1.18Å | |
C14 | N15 | sing | 1.35Å | 1.49Å | |
C27 | N26 | sing | 1.33Å | 1.35Å | Aromatic |
N22 | C23 | sing | 1.39Å | 1.48Å | |
N22 | C21 | sing | 1.47Å | 1.48Å | |
C23 | N24 | doub | 1.33Å | 1.33Å | Aromatic |
N15 | C16 | sing | 1.47Å | 1.49Å | |
C21 | C17 | sing | 1.53Å | 1.55Å | |
C17 | C16 | sing | 1.53Å | 1.58Å | |
C17 | O31 | sing | 1.43Å | 1.39Å | |
N26 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
N24 | C25 | sing | 1.32Å | 1.37Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C20 | H2 | sing | 1.09Å | 1.10Å | |
C20 | H3 | sing | 1.09Å | 1.10Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C21 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C03 | H9 | sing | 1.09Å | 1.10Å | |
C03 | H10 | sing | 1.09Å | 1.10Å | |
C03 | H11 | sing | 1.09Å | 1.10Å | |
C04 | H12 | sing | 1.09Å | 1.10Å | |
C04 | H13 | sing | 1.09Å | 1.10Å | |
C05 | H14 | sing | 1.09Å | 1.10Å | |
C05 | H15 | sing | 1.09Å | 1.10Å | |
C07 | H16 | sing | 1.09Å | 1.10Å | |
C07 | H17 | sing | 1.09Å | 1.10Å | |
C09 | H18 | sing | 1.08Å | 1.08Å | |
C11 | H19 | sing | 1.08Å | 1.08Å | |
C12 | H20 | sing | 1.08Å | 1.08Å | |
C16 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C18 | H23 | sing | 1.09Å | 1.10Å | |
C18 | H24 | sing | 1.09Å | 1.10Å | |
C19 | H25 | sing | 1.09Å | 1.10Å | |
C19 | H26 | sing | 1.09Å | 1.10Å | |
C25 | H27 | sing | 1.08Å | 1.08Å | |
C29 | H28 | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.08Å | 1.08Å | |
C33 | H32 | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C34 | H34 | sing | 1.09Å | 1.10Å | |
C34 | H35 | sing | 1.09Å | 1.10Å | |
N15 | H37 | sing | 0.97Å | 1.00Å | |
N28 | H38 | sing | 0.97Å | 1.00Å | |
O31 | H39 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C34 | C33 | N06 | 114.1° | 109.6° |
C33 | C34 | C02 | 114.8° | 109.3° |
C34 | C33 | H32 | 108.3° | 109.5° |
C34 | C33 | H33 | 108.3° | 109.5° |
C33 | C34 | H34 | 108.1° | 109.5° |
C33 | C34 | H35 | 108.1° | 109.6° |
C33 | N06 | C07 | 112.3° | 111.0° |
C33 | N06 | C05 | 108.4° | 111.2° |
N06 | C33 | H32 | 108.3° | 109.5° |
N06 | C33 | H33 | 108.3° | 109.4° |
N06 | C07 | C08 | 109.4° | 109.5° |
C07 | N06 | C05 | 110.3° | 111.1° |
N06 | C07 | H16 | 109.5° | 109.4° |
N06 | C07 | H17 | 109.5° | 109.5° |
C07 | C08 | C11 | 121.2° | 119.9° |
C07 | C08 | C09 | 119.7° | 119.8° |
C08 | C07 | H16 | 109.5° | 109.5° |
C08 | C07 | H17 | 109.5° | 109.5° |
C34 | C02 | C03 | 109.3° | 109.6° |
C34 | C02 | C04 | 112.6° | 109.2° |
C34 | C02 | C01 | 110.0° | 109.6° |
C02 | C34 | H34 | 108.1° | 109.5° |
C02 | C34 | H35 | 108.1° | 109.5° |
N06 | C05 | C04 | 111.0° | 109.6° |
N06 | C05 | H14 | 109.1° | 109.5° |
N06 | C05 | H15 | 109.1° | 109.5° |
C08 | C11 | C12 | 119.8° | 120.2° |
C11 | C08 | C09 | 119.1° | 120.3° |
C08 | C11 | H19 | 120.1° | 119.9° |
C11 | C12 | C13 | 119.9° | 119.8° |
C12 | C11 | H19 | 120.1° | 119.9° |
C11 | C12 | H20 | 120.1° | 120.1° |
C08 | C09 | C10 | 121.3° | 120.2° |
C08 | C09 | H18 | 119.4° | 120.0° |
C03 | C02 | C04 | 105.9° | 109.5° |
C03 | C02 | C01 | 110.7° | 109.5° |
C02 | C03 | H9 | 109.5° | 109.5° |
C02 | C03 | H10 | 109.5° | 109.5° |
C02 | C03 | H11 | 109.5° | 109.5° |
C05 | C04 | C02 | 108.4° | 109.2° |
C05 | C04 | H12 | 109.7° | 109.5° |
C05 | C04 | H13 | 109.8° | 109.5° |
C04 | C05 | H14 | 109.1° | 109.5° |
C04 | C05 | H15 | 109.1° | 109.4° |
C04 | C02 | C01 | 108.3° | 109.5° |
C02 | C04 | H12 | 109.7° | 109.5° |
C02 | C04 | H13 | 109.7° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.5° |
C02 | C01 | H8 | 109.5° | 109.4° |
C12 | C13 | C10 | 120.6° | 119.8° |
C12 | C13 | C14 | 122.1° | 120.1° |
C13 | C12 | H20 | 120.1° | 120.1° |
C09 | C10 | C13 | 119.3° | 119.8° |
C09 | C10 | H1 | 120.3° | 120.1° |
C10 | C09 | H18 | 119.3° | 119.9° |
C29 | N28 | C27 | 119.6° | 120.0° |
N28 | C29 | H28 | 109.5° | 109.5° |
N28 | C29 | H29 | 109.4° | 109.5° |
N28 | C29 | H30 | 109.5° | 109.5° |
C29 | N28 | H38 | 106.9° | 120.0° |
C10 | C13 | C14 | 117.3° | 120.1° |
C13 | C10 | H1 | 120.4° | 120.1° |
C13 | C14 | O32 | 122.3° | 120.0° |
C13 | C14 | N15 | 118.1° | 120.0° |
C19 | C20 | N22 | 107.3° | 109.6° |
C20 | C19 | C18 | 109.2° | 109.3° |
C19 | C20 | H2 | 110.0° | 109.5° |
C19 | C20 | H3 | 110.0° | 109.5° |
C20 | C19 | H25 | 109.6° | 109.5° |
C20 | C19 | H26 | 109.5° | 109.5° |
C20 | N22 | C23 | 118.5° | 111.0° |
C20 | N22 | C21 | 120.8° | 111.2° |
N22 | C20 | H2 | 110.0° | 109.5° |
N22 | C20 | H3 | 110.0° | 109.4° |
N28 | C27 | C30 | 117.8° | 120.5° |
N28 | C27 | N26 | 121.7° | 120.5° |
C27 | N28 | H38 | 106.9° | 120.0° |
C19 | C18 | C17 | 108.9° | 109.2° |
C19 | C18 | H23 | 109.6° | 109.5° |
C19 | C18 | H24 | 109.6° | 109.6° |
C18 | C19 | H25 | 109.5° | 109.5° |
C18 | C19 | H26 | 109.5° | 109.4° |
C27 | C30 | C23 | 118.8° | 118.3° |
C30 | C27 | N26 | 120.5° | 119.0° |
C27 | C30 | H31 | 120.6° | 120.9° |
C30 | C23 | N22 | 117.5° | 120.5° |
C30 | C23 | N24 | 121.4° | 119.0° |
C23 | C30 | H31 | 120.6° | 120.9° |
C18 | C17 | C21 | 108.8° | 109.3° |
C18 | C17 | C16 | 111.7° | 109.5° |
C18 | C17 | O31 | 110.5° | 109.5° |
C17 | C18 | H23 | 109.6° | 109.5° |
C17 | C18 | H24 | 109.6° | 109.5° |
O32 | C14 | N15 | 119.6° | 120.0° |
C14 | N15 | C16 | 116.5° | 120.0° |
C14 | N15 | H37 | 121.8° | 120.1° |
C27 | N26 | C25 | 120.1° | 120.9° |
C23 | N22 | C21 | 120.3° | 111.0° |
N22 | C23 | N24 | 121.1° | 120.5° |
N22 | C21 | C17 | 113.7° | 109.5° |
N22 | C21 | H4 | 108.4° | 109.5° |
N22 | C21 | H5 | 108.4° | 109.4° |
C23 | N24 | C25 | 119.5° | 120.9° |
N15 | C16 | C17 | 108.4° | 109.5° |
N15 | C16 | H21 | 109.8° | 109.5° |
N15 | C16 | H22 | 109.8° | 109.5° |
C16 | N15 | H37 | 121.8° | 119.9° |
C21 | C17 | C16 | 108.2° | 109.5° |
C21 | C17 | O31 | 110.9° | 109.5° |
C17 | C21 | H4 | 108.4° | 109.5° |
C17 | C21 | H5 | 108.4° | 109.5° |
C16 | C17 | O31 | 106.6° | 109.5° |
C17 | C16 | H21 | 109.7° | 109.5° |
C17 | C16 | H22 | 109.7° | 109.4° |
C17 | O31 | H39 | 109.5° | 114.0° |
N26 | C25 | N24 | 119.8° | 121.9° |
N26 | C25 | H27 | 120.1° | 119.0° |
N24 | C25 | H27 | 120.1° | 119.0° |
H2 | C20 | H3 | 109.4° | 109.5° |
H4 | C21 | H5 | 109.5° | 109.5° |
H6 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H8 | 109.4° | 109.5° |
H7 | C01 | H8 | 109.5° | 109.4° |
H9 | C03 | H10 | 109.5° | 109.4° |
H9 | C03 | H11 | 109.5° | 109.5° |
H10 | C03 | H11 | 109.5° | 109.5° |
H12 | C04 | H13 | 109.4° | 109.6° |
H14 | C05 | H15 | 109.5° | 109.4° |
H16 | C07 | H17 | 109.5° | 109.5° |
H21 | C16 | H22 | 109.5° | 109.5° |
H23 | C18 | H24 | 109.5° | 109.5° |
H25 | C19 | H26 | 109.4° | 109.6° |
H28 | C29 | H29 | 109.5° | 109.5° |
H28 | C29 | H30 | 109.4° | 109.4° |
H29 | C29 | H30 | 109.5° | 109.5° |
H32 | C33 | H33 | 109.5° | 109.4° |
H34 | C34 | H35 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C34 | C33 | N06 | H32 | 120.7° | 120.1° |
C34 | C33 | N06 | H33 | 120.7° | 120.0° |
C34 | C33 | N06 | C07 | 173.0° | 174.1° |
C33 | C34 | C02 | H34 | 120.8° | 120.0° |
C33 | C34 | C02 | H35 | 120.8° | 120.0° |
C34 | C33 | N06 | C05 | 64.8° | 61.7° |
C33 | C34 | C02 | C03 | 91.0° | 62.3° |
C33 | C34 | C02 | C04 | 26.4° | 57.7° |
C33 | C34 | C02 | C01 | 147.2° | 177.6° |
C34 | C33 | H32 | H33 | 117.9° | 119.9° |
C33 | C34 | H34 | H35 | 117.6° | 120.1° |
C33 | N06 | C07 | C05 | 121.1° | 124.3° |
C33 | N06 | C07 | C08 | 169.6° | 170.0° |
N06 | C33 | C34 | C02 | 40.4° | 59.2° |
C33 | N06 | C05 | C04 | 75.8° | 61.7° |
C33 | N06 | C05 | H14 | 164.0° | 58.3° |
C33 | N06 | C05 | H15 | 44.5° | 178.3° |
C33 | N06 | C07 | H16 | 70.4° | 70.0° |
C33 | N06 | C07 | H17 | 49.6° | 49.9° |
N06 | C33 | H32 | H33 | 117.9° | 119.9° |
N06 | C33 | C34 | H34 | 161.1° | 60.8° |
N06 | C33 | C34 | H35 | 80.4° | 179.1° |
N06 | C07 | C08 | H16 | 120.0° | 119.9° |
N06 | C07 | C08 | H17 | 120.0° | 120.0° |
N06 | C07 | C08 | C11 | 118.7° | 90.0° |
N06 | C07 | C08 | C09 | 61.8° | 90.0° |
C07 | N06 | C05 | C04 | 160.9° | 174.1° |
C07 | N06 | C05 | H14 | 40.7° | 65.8° |
C07 | N06 | C05 | H15 | 78.9° | 54.1° |
N06 | C07 | H16 | H17 | 120.0° | 120.0° |
C07 | N06 | C33 | H32 | 52.3° | 54.1° |
C07 | N06 | C33 | H33 | 66.3° | 65.8° |
C08 | C07 | N06 | C05 | 48.5° | 65.7° |
C07 | C08 | C11 | C09 | 179.5° | 180.0° |
C07 | C08 | C11 | C12 | 178.8° | 179.7° |
C07 | C08 | C09 | C10 | 178.5° | 179.9° |
C08 | C07 | H16 | H17 | 120.1° | 120.1° |
C07 | C08 | C09 | H18 | 1.5° | 0.0° |
C07 | C08 | C11 | H19 | 1.1° | 0.0° |
C34 | C02 | C03 | C04 | 121.6° | 119.7° |
C34 | C02 | C03 | C01 | 121.3° | 120.2° |
C34 | C02 | C04 | C05 | 34.0° | 57.6° |
C34 | C02 | C04 | C01 | 121.8° | 119.9° |
C34 | C02 | C01 | H6 | 180.0° | 179.6° |
C34 | C02 | C01 | H7 | 60.0° | 60.3° |
C34 | C02 | C01 | H8 | 60.0° | 59.7° |
C34 | C02 | C03 | H9 | 180.0° | 59.7° |
C34 | C02 | C03 | H10 | 60.0° | 60.3° |
C34 | C02 | C03 | H11 | 60.0° | 179.7° |
C34 | C02 | C04 | H12 | 85.9° | 177.6° |
C34 | C02 | C04 | H13 | 153.8° | 62.3° |
C02 | C34 | C33 | H32 | 161.1° | 179.2° |
C02 | C34 | C33 | H33 | 80.3° | 60.9° |
C02 | C34 | H34 | H35 | 117.6° | 120.0° |
N06 | C05 | C04 | H14 | 120.2° | 120.1° |
N06 | C05 | C04 | H15 | 120.3° | 120.0° |
N06 | C05 | C04 | C02 | 59.5° | 59.2° |
N06 | C05 | C04 | H12 | 60.3° | 179.1° |
N06 | C05 | C04 | H13 | 179.3° | 60.7° |
N06 | C05 | H14 | H15 | 119.3° | 119.9° |
C05 | N06 | C07 | H16 | 168.5° | 54.2° |
C05 | N06 | C07 | H17 | 71.5° | 174.2° |
C05 | N06 | C33 | H32 | 174.5° | 178.3° |
C05 | N06 | C33 | H33 | 55.9° | 58.3° |
C08 | C11 | C12 | H19 | 180.0° | 179.7° |
C08 | C11 | C12 | C13 | 0.2° | 0.3° |
C11 | C08 | C09 | C10 | 2.0° | 0.1° |
C11 | C08 | C07 | H16 | 121.3° | 30.0° |
C11 | C08 | C07 | H17 | 1.3° | 150.0° |
C11 | C08 | C09 | H18 | 178.0° | 180.0° |
C08 | C11 | C12 | H20 | 179.8° | 180.0° |
C12 | C11 | C08 | C09 | 1.6° | 0.4° |
C11 | C12 | C13 | H20 | 180.0° | 179.7° |
C11 | C12 | C13 | C10 | 0.9° | 0.0° |
C11 | C12 | C13 | C14 | 178.9° | 179.9° |
C08 | C09 | C10 | H18 | 180.0° | 179.9° |
C08 | C09 | C10 | C13 | 0.9° | 0.2° |
C08 | C09 | C10 | H1 | 179.1° | 180.0° |
C09 | C08 | C07 | H16 | 58.2° | 150.0° |
C09 | C08 | C07 | H17 | 178.3° | 30.0° |
C09 | C08 | C11 | H19 | 178.4° | 180.0° |
C03 | C02 | C04 | C05 | 85.5° | 62.3° |
C03 | C02 | C04 | C01 | 118.8° | 120.1° |
C03 | C02 | C01 | H6 | 59.1° | 60.2° |
C03 | C02 | C01 | H7 | 60.9° | 59.9° |
C03 | C02 | C01 | H8 | 179.0° | 179.9° |
C02 | C03 | H9 | H10 | 120.0° | 120.0° |
C02 | C03 | H9 | H11 | 120.0° | 120.0° |
C02 | C03 | H10 | H11 | 120.0° | 120.0° |
C03 | C02 | C04 | H12 | 154.7° | 57.6° |
C03 | C02 | C04 | H13 | 34.4° | 177.7° |
C03 | C02 | C34 | H34 | 29.8° | 177.7° |
C03 | C02 | C34 | H35 | 148.2° | 57.7° |
C05 | C04 | C02 | H12 | 119.8° | 119.9° |
C05 | C04 | C02 | H13 | 119.9° | 119.9° |
C05 | C04 | C02 | C01 | 155.8° | 177.6° |
C05 | C04 | H12 | H13 | 120.5° | 120.1° |
C04 | C05 | H14 | H15 | 119.3° | 119.9° |
C04 | C02 | C01 | H6 | 56.6° | 60.0° |
C04 | C02 | C01 | H7 | 176.6° | 180.0° |
C04 | C02 | C01 | H8 | 63.3° | 60.0° |
C04 | C02 | C03 | H9 | 58.4° | 60.0° |
C04 | C02 | C03 | H10 | 61.6° | 180.0° |
C04 | C02 | C03 | H11 | 178.4° | 60.0° |
C02 | C04 | H12 | H13 | 120.5° | 120.1° |
C02 | C04 | C05 | H14 | 179.7° | 60.9° |
C02 | C04 | C05 | H15 | 60.8° | 179.2° |
C04 | C02 | C34 | H34 | 147.2° | 62.3° |
C04 | C02 | C34 | H35 | 94.3° | 177.6° |
C02 | C01 | H6 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H8 | 120.0° | 120.0° |
C02 | C01 | H7 | H8 | 120.0° | 119.9° |
C01 | C02 | C03 | H9 | 58.7° | 179.9° |
C01 | C02 | C03 | H10 | 178.7° | 59.9° |
C01 | C02 | C03 | H11 | 61.3° | 60.1° |
C01 | C02 | C04 | H12 | 35.9° | 62.5° |
C01 | C02 | C04 | H13 | 84.4° | 57.6° |
C01 | C02 | C34 | H34 | 92.0° | 57.6° |
C01 | C02 | C34 | H35 | 26.5° | 62.4° |
C12 | C13 | C10 | C09 | 0.5° | 0.2° |
C12 | C13 | C10 | C14 | 178.1° | 180.0° |
C12 | C13 | C14 | O32 | 29.3° | 180.0° |
C12 | C13 | C14 | N15 | 150.3° | 0.0° |
C12 | C13 | C10 | H1 | 179.4° | 180.0° |
C13 | C12 | C11 | H19 | 179.8° | 180.0° |
C09 | C10 | C13 | H1 | 180.0° | 179.8° |
C09 | C10 | C13 | C14 | 178.7° | 179.8° |
C29 | N28 | C27 | H38 | 121.5° | 180.0° |
C29 | N28 | C27 | C30 | 31.4° | 0.0° |
C29 | N28 | C27 | N26 | 149.0° | 180.0° |
N28 | C29 | H28 | H29 | 120.0° | 120.0° |
N28 | C29 | H28 | H30 | 120.0° | 120.0° |
N28 | C29 | H29 | H30 | 120.0° | 120.0° |
C10 | C13 | C14 | O32 | 152.6° | 0.0° |
C10 | C13 | C14 | N15 | 27.8° | 180.0° |
C13 | C10 | C09 | H18 | 179.1° | 179.7° |
C10 | C13 | C12 | H20 | 179.1° | 179.7° |
C13 | C14 | O32 | N15 | 179.6° | 180.0° |
C13 | C14 | N15 | C16 | 180.0° | 180.0° |
C14 | C13 | C10 | H1 | 1.3° | 0.0° |
C14 | C13 | C12 | H20 | 1.1° | 0.3° |
C13 | C14 | N15 | H37 | 0.1° | 0.0° |
C19 | C20 | N22 | H2 | 119.7° | 120.1° |
C19 | C20 | N22 | H3 | 119.7° | 120.0° |
C20 | C19 | C18 | H25 | 120.0° | 120.0° |
C20 | C19 | C18 | H26 | 120.0° | 119.9° |
C20 | C19 | C18 | C17 | 68.2° | 57.6° |
C19 | C20 | N22 | C23 | 125.7° | 174.2° |
C19 | C20 | N22 | C21 | 47.0° | 61.7° |
C19 | C20 | H2 | H3 | 121.0° | 120.0° |
C20 | C19 | C18 | H23 | 171.9° | 177.5° |
C20 | C19 | C18 | H24 | 51.7° | 62.3° |
C20 | C19 | H25 | H26 | 120.1° | 120.1° |
N22 | C20 | C19 | C18 | 58.2° | 59.1° |
C20 | N22 | C23 | C30 | 18.4° | 56.3° |
C20 | N22 | C23 | C21 | 172.7° | 124.3° |
C20 | N22 | C23 | N24 | 161.8° | 124.0° |
C20 | N22 | C21 | C17 | 41.5° | 61.7° |
N22 | C20 | H2 | H3 | 121.0° | 119.9° |
C20 | N22 | C21 | H4 | 79.1° | 58.4° |
C20 | N22 | C21 | H5 | 162.1° | 178.4° |
N22 | C20 | C19 | H25 | 61.7° | 179.1° |
N22 | C20 | C19 | H26 | 178.2° | 60.7° |
N28 | C27 | C30 | N26 | 179.6° | 180.0° |
N28 | C27 | C30 | C23 | 179.6° | 180.0° |
N28 | C27 | N26 | C25 | 179.9° | 180.0° |
C27 | N28 | C29 | H28 | 180.0° | 180.0° |
C27 | N28 | C29 | H29 | 60.0° | 60.0° |
C27 | N28 | C29 | H30 | 60.0° | 60.0° |
N28 | C27 | C30 | H31 | 0.4° | 0.0° |
C19 | C18 | C17 | H23 | 119.9° | 119.9° |
C19 | C18 | C17 | H24 | 119.9° | 120.0° |
C19 | C18 | C17 | C21 | 59.0° | 57.7° |
C19 | C18 | C17 | C16 | 178.4° | 62.3° |
C19 | C18 | C17 | O31 | 63.0° | 177.6° |
C18 | C19 | C20 | H2 | 61.4° | 179.2° |
C18 | C19 | C20 | H3 | 177.9° | 60.8° |
C19 | C18 | H23 | H24 | 120.2° | 120.2° |
C18 | C19 | H25 | H26 | 120.1° | 120.0° |
C27 | C30 | C23 | H31 | 180.0° | 180.0° |
C27 | C30 | C23 | N22 | 179.7° | 179.8° |
C27 | C30 | C23 | N24 | 0.5° | 0.0° |
C30 | C27 | N26 | C25 | 0.4° | 0.0° |
C30 | C27 | N28 | H38 | 90.0° | 180.0° |
C23 | C30 | C27 | N26 | 0.8° | 0.0° |
C30 | C23 | N22 | N24 | 179.7° | 179.8° |
C30 | C23 | N22 | C21 | 168.9° | 179.5° |
C30 | C23 | N24 | C25 | 0.1° | 0.0° |
C18 | C17 | C21 | N22 | 44.8° | 59.2° |
C18 | C17 | C16 | N15 | 56.2° | 55.1° |
C18 | C17 | C21 | C16 | 121.6° | 120.0° |
C18 | C17 | C21 | O31 | 121.8° | 120.0° |
C18 | C17 | C16 | O31 | 120.9° | 120.1° |
C18 | C17 | C21 | H4 | 75.9° | 60.8° |
C18 | C17 | C21 | H5 | 165.4° | 179.2° |
C18 | C17 | C16 | H21 | 63.6° | 64.9° |
C18 | C17 | C16 | H22 | 176.1° | 175.1° |
C17 | C18 | H23 | H24 | 120.3° | 120.1° |
C17 | C18 | C19 | H25 | 51.8° | 177.6° |
C17 | C18 | C19 | H26 | 171.8° | 62.3° |
C18 | C17 | O31 | H39 | 180.0° | 60.1° |
O32 | C14 | N15 | C16 | 0.3° | 0.0° |
O32 | C14 | N15 | H37 | 179.7° | 180.0° |
C14 | N15 | C16 | H37 | 180.0° | 180.0° |
C14 | N15 | C16 | C17 | 104.0° | 180.0° |
C14 | N15 | C16 | H21 | 15.9° | 60.0° |
C14 | N15 | C16 | H22 | 136.2° | 60.0° |
C27 | N26 | C25 | N24 | 0.3° | 0.0° |
C27 | N26 | C25 | H27 | 179.7° | 180.0° |
N26 | C27 | C30 | H31 | 179.2° | 180.0° |
N26 | C27 | N28 | H38 | 89.6° | 0.0° |
C23 | N22 | C21 | C17 | 131.1° | 174.2° |
N22 | C23 | N24 | C25 | 179.6° | 179.7° |
C23 | N22 | C20 | H2 | 114.6° | 54.1° |
C23 | N22 | C20 | H3 | 6.0° | 65.9° |
C23 | N22 | C21 | H4 | 108.3° | 65.8° |
C23 | N22 | C21 | H5 | 10.5° | 54.2° |
N22 | C23 | C30 | H31 | 0.3° | 0.2° |
C21 | N22 | C23 | N24 | 10.9° | 0.3° |
N22 | C21 | C17 | H4 | 120.6° | 120.0° |
N22 | C21 | C17 | H5 | 120.6° | 120.0° |
N22 | C21 | C17 | C16 | 166.3° | 60.8° |
N22 | C21 | C17 | O31 | 77.0° | 179.2° |
C21 | N22 | C20 | H2 | 72.7° | 178.3° |
C21 | N22 | C20 | H3 | 166.6° | 58.3° |
N22 | C21 | H4 | H5 | 118.1° | 120.0° |
C23 | N24 | C25 | N26 | 0.5° | 0.0° |
C23 | N24 | C25 | H27 | 179.5° | 180.0° |
N24 | C23 | C30 | H31 | 179.4° | 180.0° |
N15 | C16 | C17 | C21 | 63.6° | 175.0° |
N15 | C16 | C17 | H21 | 119.8° | 120.0° |
N15 | C16 | C17 | H22 | 119.8° | 120.0° |
N15 | C16 | C17 | O31 | 177.1° | 65.0° |
N15 | C16 | H21 | H22 | 120.5° | 120.0° |
C21 | C17 | C16 | O31 | 119.3° | 120.1° |
C17 | C21 | H4 | H5 | 118.0° | 120.0° |
C21 | C17 | C16 | H21 | 176.6° | 55.0° |
C21 | C17 | C16 | H22 | 56.3° | 65.1° |
C21 | C17 | C18 | H23 | 178.9° | 177.6° |
C21 | C17 | C18 | H24 | 61.0° | 62.3° |
C21 | C17 | O31 | H39 | 59.2° | 179.9° |
C16 | C17 | C21 | H4 | 45.7° | 179.2° |
C16 | C17 | C21 | H5 | 73.0° | 59.2° |
C17 | C16 | H21 | H22 | 120.5° | 120.0° |
C16 | C17 | C18 | H23 | 61.7° | 57.6° |
C16 | C17 | C18 | H24 | 58.5° | 177.7° |
C17 | C16 | N15 | H37 | 76.1° | 0.0° |
C16 | C17 | O31 | H39 | 58.4° | 60.0° |
O31 | C17 | C21 | H4 | 162.3° | 59.1° |
O31 | C17 | C21 | H5 | 43.6° | 60.9° |
O31 | C17 | C16 | H21 | 57.3° | 175.0° |
O31 | C17 | C16 | H22 | 63.1° | 55.0° |
O31 | C17 | C18 | H23 | 56.9° | 62.5° |
O31 | C17 | C18 | H24 | 177.0° | 57.6° |
N26 | C25 | N24 | H27 | 180.0° | 179.9° |
H1 | C10 | C09 | H18 | 0.9° | 0.0° |
H2 | C20 | C19 | H25 | 178.6° | 60.9° |
H2 | C20 | C19 | H26 | 58.5° | 59.3° |
H3 | C20 | C19 | H25 | 57.9° | 59.1° |
H3 | C20 | C19 | H26 | 62.1° | 179.3° |
H6 | C01 | H7 | H8 | 120.0° | 120.0° |
H9 | C03 | H10 | H11 | 120.0° | 120.0° |
H12 | C04 | C05 | H14 | 59.9° | 59.0° |
H12 | C04 | C05 | H15 | 179.4° | 60.9° |
H13 | C04 | C05 | H14 | 60.5° | 179.2° |
H13 | C04 | C05 | H15 | 59.1° | 59.3° |
H19 | C11 | C12 | H20 | 0.2° | 0.3° |
H21 | C16 | N15 | H37 | 164.1° | 120.0° |
H22 | C16 | N15 | H37 | 43.8° | 120.0° |
H23 | C18 | C19 | H25 | 68.2° | 62.5° |
H23 | C18 | C19 | H26 | 51.9° | 57.7° |
H24 | C18 | C19 | H25 | 171.7° | 57.7° |
H24 | C18 | C19 | H26 | 68.3° | 177.8° |
H28 | C29 | H29 | H30 | 120.0° | 120.0° |
H28 | C29 | N28 | H38 | 58.6° | 0.0° |
H29 | C29 | N28 | H38 | 61.4° | 120.0° |
H30 | C29 | N28 | H38 | 178.6° | 120.0° |
H32 | C33 | C34 | H34 | 78.2° | 59.3° |
H32 | C33 | C34 | H35 | 40.3° | 60.8° |
H33 | C33 | C34 | H34 | 40.5° | 179.2° |
H33 | C33 | C34 | H35 | 158.9° | 59.1° |